cut_lmp_atoms_etc

cut lammps data, including bonds and angles and so on.

This function is an improvement on cut_lmp_atoms.

cut_lmp_atoms can only handle lmp with no bond angles.

Parameters

lmp: original lammps data
relmp: rewrite lammps data
cut_block: { “dx”:[0,0], “dy”:[0,0], “dz”:[0,0] }, a dictionary, unit/angstrom

Returns

None

Examples

import readlammpsdata as rld
rld.cut_lmp_atoms_etc(
    lmp,relmp,cut_block={
	        "dx":[-1000,1000],
 		"dy":[-1000,1000],
 		"dz":[-15.9,13.5]})

Notes

dx, dy, dz represent the interval of the block to be cut